SCHEMBL772160

SCHEMBL772160

[CH2]C(=O)N1CCN(C(=O)COC)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 3/20 0.43
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 8/20 0.41
CYP3A4 P08684 7/20 0.41
CYP2C9 P11712 3/20 0.41
TSHR P16473 3/20 0.41
USP2 O75604 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 3/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
NAMPT P43490 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8402970 0.89 ALDH1A1 (0.51) MAPTALDH1A1CYP1A2KMT2AGAA
SCHEMBL14010813 0.89
SCHEMBL508613 0.85 MAPT (0.46) MAPTALDH1A1CYP1A2KMT2AGAA
SCHEMBL508614 0.81 GAA (0.51) MAPTALDH1A1CYP1A2KMT2AGAA
SCHEMBL14590566 0.81 ALDH1A1 (0.51) MAPTALDH1A1CYP1A2KMT2AGAA
SCHEMBL3053299 0.81 ALDH1A1 (0.47) MAPTALDH1A1CYP1A2KMT2AGAA
SCHEMBL944668 0.80 ALDH1A1 (0.53) MAPTALDH1A1CYP1A2KMT2ATSHR
SCHEMBL11406691 0.80
SCHEMBL772825 0.80 MAPT (0.43) MAPTALDH1A1CYP1A2KMT2AGAA
SCHEMBL12706362 0.79 MAPT (0.45) MAPTALDH1A1CYP1A2KMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 MAPT 3389/4885ALDH1A1 750/4885CYP1A2 1549/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 MAPT 3246/4885ALDH1A1 351/4885CYP1A2 617/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MAPT 3389/4885ALDH1A1 750/4885CYP1A2 1549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.